N-(1,3-benzothiazol-2-yl)-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[[5-[(3,4-dimethoxyphenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[4-(4-phenoxyphenyl)-5-veratryl-1,2,4-triazol-3-yl]thio]acetamide Formula: C32H27N5O4S2 MolecularWeight: 609.71788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)OC4=CC=CC=C4)SCC(=O)NC5=NC6=CC=CC=C6S5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)OC4=CC=CC=C4)SCC(=O)NC5=NC6=CC=CC=C6S5)OC

InChI

InChI=1S/C32H27N5O4S2/c1-39-26-17-12-21(18-27(26)40-2)19-29-35-36-32(42-20-30(38)34-31-33-25-10-6-7-11-28(25)43-31)37(29)22-13-15-24(16-14-22)41-23-8-4-3-5-9-23/h3-18H,19-20H2,1-2H3,(H,33,34,38)